(4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione

C16H15N3O3S — CID 118580172

IUPAC(4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione
SMILESO=C1N(CCc2nccs2)O[C@@]12CCN(c1ccccc1)C2=O
InChIInChI=1S/C16H15N3O3S/c20-14-16(7-10-18(14)12-4-2-1-3-5-12)15(21)19(22-16)9-6-13-17-8-11-23-13/h1-5,8,11H,6-7,9-10H2/t16-/m1/s1
InChIKeyHVLNZHCARYKDTP-MRXNPFEDSA-N
MW329.38 g/mol
LogP1.64
Rot. Bonds4

About (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione

(4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione (PubChem CID 118580172) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione.

Molecular Properties

Compound Name(4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione
PubChem CID118580172
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name(4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione
SMILESO=C1N(CCc2nccs2)O[C@@]12CCN(c1ccccc1)C2=O
InChIInChI=1S/C16H15N3O3S/c20-14-16(7-10-18(14)12-4-2-1-3-5-12)15(21)19(22-16)9-6-13-17-8-11-23-13/h1-5,8,11H,6-7,9-10H2/t16-/m1/s1
InChIKeyHVLNZHCARYKDTP-MRXNPFEDSA-N
XLogP1.64
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione?
The IUPAC name of (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione (CID 118580172) is (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione.
What is the SMILES notation for (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione?
The canonical SMILES for (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione is O=C1N(CCc2nccs2)O[C@@]12CCN(c1ccccc1)C2=O.
What is the InChIKey of (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione?
The InChIKey is HVLNZHCARYKDTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-14-16(7-10-18(14)12-4-2-1-3-5-12)15(21)19(22-16)9-6-13-17-8-11-23-13/h1-5,8,11H,6-7,9-10H2/t16-/m1/s1.
What are the key properties of (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione?
(4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione has a molecular weight of 329.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-phenyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1-oxa-2,7-diazaspiro[3.4]octane-3,8-dione is sourced from PubChem (CID 118580172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).